ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009408
RECORD_TITLE: PHENOXYACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PHENOXYACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)COc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025873

AC$INSTRUMENT: HITACHI M-80A
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ufr-9300000000-7ad28b74c9749c6a27fb
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  37 4.88 49
  38 13.3 133
  39 49.58 496
  40 10.97 110
  41 2.42 24
  42 11.66 117
  43 13.47 135
  44 2.91 29
  45 29.34 293
  46 1.16 12
  49 1.29 13
  50 21.31 213
  51 56.5 565
  52 7.03 70
  53 2.58 26
  55 1.86 19
  58 3.56 36
  59 1.48 15
  61 2.26 23
  62 5.9 59
  63 11.69 117
  64 4.21 42
  65 29.34 293
  66 9.62 96
  74 5.03 50
  75 3.01 30
  76 3.81 38
  77 99.99 999
  78 13.81 138
  79 36.43 364
  80 2.54 25
  92 1.78 18
  93 1.87 19
  94 22.51 225
  95 2.14 21
  105 1.04 10
  107 71.04 710
  108 5.71 57
  152 92.9 929
  153 8.56 86
//